methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate

C11H14F3N3O2 — CID 118149705

IUPACmethyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
SMILESCOC(=O)C1CC(n2ccc(C(F)(F)F)n2)CCN1
InChIInChI=1S/C11H14F3N3O2/c1-19-10(18)8-6-7(2-4-15-8)17-5-3-9(16-17)11(12,13)14/h3,5,7-8,15H,2,4,6H2,1H3
InChIKeyHDNZKNBQLMHGTE-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.37
Rot. Bonds2

About methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate

methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate (PubChem CID 118149705) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
PubChem CID118149705
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Namemethyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
SMILESCOC(=O)C1CC(n2ccc(C(F)(F)F)n2)CCN1
InChIInChI=1S/C11H14F3N3O2/c1-19-10(18)8-6-7(2-4-15-8)17-5-3-9(16-17)11(12,13)14/h3,5,7-8,15H,2,4,6H2,1H3
InChIKeyHDNZKNBQLMHGTE-UHFFFAOYSA-N
XLogP1.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)butanoate
CID 64661663
ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)hexanoate
CID 71186777
2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)hexanoic acid
CID 71204609
Methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate
CID 122633516
Methyl 2-amino-3-[1-(difluoromethyl)pyrazol-3-yl]propanoate
CID 162758075
Methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 177995427
Methyl 1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclohexane-1-carboxylate
CID 32471054
2-[[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]amino]hexanoic acid
CID 43469670
2-(Propylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 55143178
Methyl 2-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 55143180
Ethyl 1-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]oxyacetyl]piperidine-2-carboxylate
CID 55401908
Methyl 4-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoate
CID 60418474

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate?
The IUPAC name of methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate (CID 118149705) is methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate?
The canonical SMILES for methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate is COC(=O)C1CC(n2ccc(C(F)(F)F)n2)CCN1.
What is the InChIKey of methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate?
The InChIKey is HDNZKNBQLMHGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-19-10(18)8-6-7(2-4-15-8)17-5-3-9(16-17)11(12,13)14/h3,5,7-8,15H,2,4,6H2,1H3.
What are the key properties of methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate?
methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate has a molecular weight of 277.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-2-carboxylate is sourced from PubChem (CID 118149705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).